Crystallography Open Database

Information card for entry 4500512

Preview

Coordinates	4500512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 Na2 O18 Zn3
Calculated formula	C20 H12 Na2 O18 Zn3
Title of publication	Syntheses, Structures, and Structural Transformations of Mixed Na(I) and Zn(II) Metal‒Organic Frameworks with 1,3,5-Benzenetricarboxylate Ligands
Authors of publication	Fu, Ying; Su, Jie; Yang, Sihai; Zou, Zhibo; Li, Guobao; Liao, Fuhui; Xiong, Ming; Lin, Jianhua
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	6
Pages of publication	2243
a	7.3529 ± 0.0015 Å
b	19.332 ± 0.004 Å
c	16.542 ± 0.003 Å
α	90°
β	99 ± 0.03°
γ	90°
Cell volume	2322.4 ± 0.8 Å³
Cell temperature	383 ± 2 K
Ambient diffraction temperature	383 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1307
Residual factor for significantly intense reflections	0.1041
Weighted residual factors for significantly intense reflections	0.2638
Weighted residual factors for all reflections included in the refinement	0.2817
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179536 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/05.	4500512.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500512.cif
34524	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500509, 4500510, 4500511, 4500512 via cif-deposit CGI script.	4500512.cif